3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide

C24H20FN5O2 — CID 167944281

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide (PubChem CID 167944281) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide
• PubChem CID: 167944281
• Molecular Formula: C24H20FN5O2
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.16
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1
• InChI: InChI=1S/C24H20FN5O2/c1-13-17(14(2)27-24(32)18(13)12-26)10-11-21(31)28-16-8-6-15(7-9-16)23-29-20-5-3-4-19(25)22(20)30-23/h3-9H,10-11H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)
• InChIKey: ZHTSXLSSPHTWBE-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 114.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide (CID 167944281) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide?

The InChIKey is ZHTSXLSSPHTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-13-17(14(2)27-24(32)18(13)12-26)10-11-21(31)28-16-8-6-15(7-9-16)23-29-20-5-3-4-19(25)22(20)30-23/h3-9H,10-11H2,1-2H3,(H,27,32)(H,28,31)(H,29,30).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide has a molecular weight of 429.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 167944281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).